(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol

C20H21NO5 — CID 162657764

IUPAC(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
SMILESCOc1ccc([C@H](O)c2nccc3c(OC)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C20H21NO5/c1-23-13-7-5-12(6-8-13)18(22)17-15-11-16(24-2)20(26-4)19(25-3)14(15)9-10-21-17/h5-11,18,22H,1-4H3/t18-/m0/s1
InChIKeyWALAUOPPRJDUCG-SFHVURJKSA-N
MW355.39 g/mol
LogP3.35
Rot. Bonds6

About (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol

(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol (PubChem CID 162657764) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
PubChem CID162657764
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
SMILESCOc1ccc([C@H](O)c2nccc3c(OC)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C20H21NO5/c1-23-13-7-5-12(6-8-13)18(22)17-15-11-16(24-2)20(26-4)19(25-3)14(15)9-10-21-17/h5-11,18,22H,1-4H3/t18-/m0/s1
InChIKeyWALAUOPPRJDUCG-SFHVURJKSA-N
XLogP3.35
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045
5,6,7-trimethoxyisoquinoline-1-carbonitrile
CID 13311471
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol?
The IUPAC name of (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol (CID 162657764) is (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol.
What is the SMILES notation for (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol?
The canonical SMILES for (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol is COc1ccc([C@H](O)c2nccc3c(OC)c(OC)c(OC)cc23)cc1.
What is the InChIKey of (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol?
The InChIKey is WALAUOPPRJDUCG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-13-7-5-12(6-8-13)18(22)17-15-11-16(24-2)20(26-4)19(25-3)14(15)9-10-21-17/h5-11,18,22H,1-4H3/t18-/m0/s1.
What are the key properties of (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol?
(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol has a molecular weight of 355.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol is sourced from PubChem (CID 162657764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).